1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate

C18H36O4Si — CID 162767548

IUPAC1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC)[Si](C)(OCC)OCC
InChIInChI=1S/C18H36O4Si/c1-7-10-11-12-13-14-15-17(22-18(19)16(4)5)23(6,20-8-2)21-9-3/h17H,4,7-15H2,1-3,5-6H3
InChIKeyIYJPKHWZZGLOQS-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.91
Rot. Bonds14

About 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate

1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate (PubChem CID 162767548) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
PubChem CID162767548
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC)[Si](C)(OCC)OCC
InChIInChI=1S/C18H36O4Si/c1-7-10-11-12-13-14-15-17(22-18(19)16(4)5)23(6,20-8-2)21-9-3/h17H,4,7-15H2,1-3,5-6H3
InChIKeyIYJPKHWZZGLOQS-UHFFFAOYSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
1-(dimethylamino)dodecyl 2-methylprop-2-enoate
CID 19020929
1-sulfanyltetradecyl 2-methylprop-2-enoate
CID 175209122
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
1-(diethylamino)octadecyl 2-methylprop-2-enoate
CID 57223262
1-methoxyheptyl 2-methylprop-2-enoate
CID 140764292
1-(dioctylamino)hexyl 2-methylprop-2-enoate
CID 88745417
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate?
The IUPAC name of 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate (CID 162767548) is 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCC)[Si](C)(OCC)OCC.
What is the InChIKey of 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate?
The InChIKey is IYJPKHWZZGLOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-7-10-11-12-13-14-15-17(22-18(19)16(4)5)23(6,20-8-2)21-9-3/h17H,4,7-15H2,1-3,5-6H3.
What are the key properties of 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate?
1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate has a molecular weight of 344.57 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate is sourced from PubChem (CID 162767548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).